1,3-dimethyl-3,4-dihydroisoquinoline

C11H13N — CID 3245338

IUPAC1,3-dimethyl-3,4-dihydroisoquinoline
SMILESCC1=NC(C)Cc2ccccc21
InChIInChI=1S/C11H13N/c1-8-7-10-5-3-4-6-11(10)9(2)12-8/h3-6,8H,7H2,1-2H3
InChIKeyMFRSLKXLFAZRBP-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.44
Rot. Bonds

About 1,3-dimethyl-3,4-dihydroisoquinoline

1,3-dimethyl-3,4-dihydroisoquinoline (PubChem CID 3245338) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 1,3-dimethyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1,3-dimethyl-3,4-dihydroisoquinoline
PubChem CID3245338
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name1,3-dimethyl-3,4-dihydroisoquinoline
SMILESCC1=NC(C)Cc2ccccc21
InChIInChI=1S/C11H13N/c1-8-7-10-5-3-4-6-11(10)9(2)12-8/h3-6,8H,7H2,1-2H3
InChIKeyMFRSLKXLFAZRBP-UHFFFAOYSA-N
XLogP2.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Phenyl-2,3,4,5-tetrahydropyridine
CID 11829725
3,4-Dihydro-1-(phenylmethyl)isoquinoline
CID 32719
3,4-Dihydroisoquinoline
CID 76705
Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide
CID 3073403
1-Phenyl-3,4-dihydroisoquinoline
CID 609926
1-Methyl-3,4-dihydroisoquinoline
CID 231502
1-Benzyl-3,4-dihydroisoquinoline hydrochloride
CID 45048805
4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile
CID 2842456
1,3,3,6,7-Pentamethyl-3,4-dihydroisoquinoline hydrochloride
CID 16192861
3-Methyl-1-phenethyl-3,4-dihydroisoquinoline hydrochloride
CID 24747746
2-(3-Fluorophenyl)-3,4,5,6-tetrahydro-pyridine
CID 12009050
6-(M-tolyl)-2,3,4,5-tetrahydropyridine
CID 68845701

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3,4-dihydroisoquinoline?
The IUPAC name of 1,3-dimethyl-3,4-dihydroisoquinoline (CID 3245338) is 1,3-dimethyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 1,3-dimethyl-3,4-dihydroisoquinoline?
The canonical SMILES for 1,3-dimethyl-3,4-dihydroisoquinoline is CC1=NC(C)Cc2ccccc21.
What is the InChIKey of 1,3-dimethyl-3,4-dihydroisoquinoline?
The InChIKey is MFRSLKXLFAZRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8-7-10-5-3-4-6-11(10)9(2)12-8/h3-6,8H,7H2,1-2H3.
What are the key properties of 1,3-dimethyl-3,4-dihydroisoquinoline?
1,3-dimethyl-3,4-dihydroisoquinoline has a molecular weight of 159.23 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 3245338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).